[2-(2-azidoethyl)-2-azaspiro[4.5]decan-4-yl]methanol

C12H22N4O — CID 121202856

IUPAC[2-(2-azidoethyl)-2-azaspiro[4.5]decan-4-yl]methanol
SMILES[N-]=[N+]=NCCN1CC(CO)C2(CCCCC2)C1
InChIInChI=1S/C12H22N4O/c13-15-14-6-7-16-8-11(9-17)12(10-16)4-2-1-3-5-12/h11,17H,1-10H2
InChIKeyXMSVUBABAJELTC-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.17
Rot. Bonds4

About [2-(2-azidoethyl)-2-azaspiro[4.5]decan-4-yl]methanol

[2-(2-azidoethyl)-2-azaspiro[4.5]decan-4-yl]methanol (PubChem CID 121202856) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is [2-(2-azidoethyl)-2-azaspiro[4.5]decan-4-yl]methanol.

Molecular Properties

Compound Name[2-(2-azidoethyl)-2-azaspiro[4.5]decan-4-yl]methanol
PubChem CID121202856
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name[2-(2-azidoethyl)-2-azaspiro[4.5]decan-4-yl]methanol
SMILES[N-]=[N+]=NCCN1CC(CO)C2(CCCCC2)C1
InChIInChI=1S/C12H22N4O/c13-15-14-6-7-16-8-11(9-17)12(10-16)4-2-1-3-5-12/h11,17H,1-10H2
InChIKeyXMSVUBABAJELTC-UHFFFAOYSA-N
XLogP2.17
TPSA72.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

[1-[[Methyl(2-pyrrolidin-1-ylethyl)amino]methyl]cyclohexyl]methanol
CID 63211133
[1-[(3,4-Dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanol
CID 79183947
[1-[[1-(Hydroxymethyl)cyclohexyl]methyl]pyrrolidin-3-yl]methanol
CID 112629230
[1-[(3-Propan-2-ylpyrrolidin-1-yl)methyl]cyclohexyl]methanol
CID 113418908
2-Cyclohexyl-3-pyrrolidin-1-ylpropan-1-ol
CID 117245950
[3-(Cyclohexylmethyl)-1-methylpyrrolidin-3-yl]methanol
CID 117543111
(3-Cyclohexyl-1-methylpyrrolidin-3-yl)methanol
CID 117543345
(2-(2-Azidoethyl)-2-azaspiro[4.4]nonan-4-yl)methanol
CID 121202806
(2-(2-Aminoethyl)-2-azaspiro[4.5]decan-4-yl)methanol
CID 121202853
2-(4-(Hydroxymethyl)-2-azaspiro[4.5]decan-2-yl)ethan-1-ol
CID 121202855
(2-Amino-2-azaspiro[4.5]decan-4-yl)methanol
CID 121202866
(2-(2-azidoethyl)octahydro-3aH-isoindol-3a-yl)methanol
CID 121204280

Frequently Asked Questions

What is the IUPAC name of [2-(2-azidoethyl)-2-azaspiro[4.5]decan-4-yl]methanol?
The IUPAC name of [2-(2-azidoethyl)-2-azaspiro[4.5]decan-4-yl]methanol (CID 121202856) is [2-(2-azidoethyl)-2-azaspiro[4.5]decan-4-yl]methanol.
What is the SMILES notation for [2-(2-azidoethyl)-2-azaspiro[4.5]decan-4-yl]methanol?
The canonical SMILES for [2-(2-azidoethyl)-2-azaspiro[4.5]decan-4-yl]methanol is [N-]=[N+]=NCCN1CC(CO)C2(CCCCC2)C1.
What is the InChIKey of [2-(2-azidoethyl)-2-azaspiro[4.5]decan-4-yl]methanol?
The InChIKey is XMSVUBABAJELTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c13-15-14-6-7-16-8-11(9-17)12(10-16)4-2-1-3-5-12/h11,17H,1-10H2.
What are the key properties of [2-(2-azidoethyl)-2-azaspiro[4.5]decan-4-yl]methanol?
[2-(2-azidoethyl)-2-azaspiro[4.5]decan-4-yl]methanol has a molecular weight of 238.33 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-azidoethyl)-2-azaspiro[4.5]decan-4-yl]methanol is sourced from PubChem (CID 121202856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).